[3-(2,2,2-trifluoroethoxymethyl)quinolin-2-yl]hydrazine

C12H12F3N3O — CID 55050997

IUPAC[3-(2,2,2-trifluoroethoxymethyl)quinolin-2-yl]hydrazine
SMILESNNc1nc2ccccc2cc1COCC(F)(F)F
InChIInChI=1S/C12H12F3N3O/c13-12(14,15)7-19-6-9-5-8-3-1-2-4-10(8)17-11(9)18-16/h1-5H,6-7,16H2,(H,17,18)
InChIKeyPBGODPKLVXDBCF-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.60
Rot. Bonds4

About [3-(2,2,2-trifluoroethoxymethyl)quinolin-2-yl]hydrazine

[3-(2,2,2-trifluoroethoxymethyl)quinolin-2-yl]hydrazine (PubChem CID 55050997) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is [3-(2,2,2-trifluoroethoxymethyl)quinolin-2-yl]hydrazine.

Molecular Properties

Compound Name[3-(2,2,2-trifluoroethoxymethyl)quinolin-2-yl]hydrazine
PubChem CID55050997
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name[3-(2,2,2-trifluoroethoxymethyl)quinolin-2-yl]hydrazine
SMILESNNc1nc2ccccc2cc1COCC(F)(F)F
InChIInChI=1S/C12H12F3N3O/c13-12(14,15)7-19-6-9-5-8-3-1-2-4-10(8)17-11(9)18-16/h1-5H,6-7,16H2,(H,17,18)
InChIKeyPBGODPKLVXDBCF-UHFFFAOYSA-N
XLogP2.60
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [3-(2,2,2-trifluoroethoxymethyl)quinolin-2-yl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(2,2,2-trifluoroethoxymethyl)quinolin-2-yl]hydrazine?
The IUPAC name of [3-(2,2,2-trifluoroethoxymethyl)quinolin-2-yl]hydrazine (CID 55050997) is [3-(2,2,2-trifluoroethoxymethyl)quinolin-2-yl]hydrazine.
What is the SMILES notation for [3-(2,2,2-trifluoroethoxymethyl)quinolin-2-yl]hydrazine?
The canonical SMILES for [3-(2,2,2-trifluoroethoxymethyl)quinolin-2-yl]hydrazine is NNc1nc2ccccc2cc1COCC(F)(F)F.
What is the InChIKey of [3-(2,2,2-trifluoroethoxymethyl)quinolin-2-yl]hydrazine?
The InChIKey is PBGODPKLVXDBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c13-12(14,15)7-19-6-9-5-8-3-1-2-4-10(8)17-11(9)18-16/h1-5H,6-7,16H2,(H,17,18).
What are the key properties of [3-(2,2,2-trifluoroethoxymethyl)quinolin-2-yl]hydrazine?
[3-(2,2,2-trifluoroethoxymethyl)quinolin-2-yl]hydrazine has a molecular weight of 271.24 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2,2-trifluoroethoxymethyl)quinolin-2-yl]hydrazine is sourced from PubChem (CID 55050997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).